{"id":"W1990251816","doi":"10.1063/1.1315321","title":"The local structure in liquid methylamine and methylamine–water mixtures","year":2000,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":46,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"","keywords":"Methylamine; Aqueous solution; Hydrogen bond; Molecular dynamics; Chemistry; Molecule; Chemical physics; Crystallography; Computational chemistry; Physical chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002230562,0.0001622192,0.0002718287,0.000008826368,0.0001030366,0.00002607919,0.0002724642,0.00003809426,0.0001333084],"category_scores_gemma":[0.000008490454,0.00006828304,0.00009512386,0.00009656551,0.0003243427,0.00008115849,0.00006123761,0.0005382104,0.000002699911],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000207249,"about_ca_system_score_gemma":0.00001210109,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002682512,"about_ca_topic_score_gemma":9.923716e-7,"domain_scores_codex":[0.999056,0.00006536442,0.0003183019,0.00008956937,0.0002022117,0.0002685924],"domain_scores_gemma":[0.9993195,0.0003441275,0.00009399815,0.0001381308,0.00004771265,0.00005655044],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000574643,0.00007079486,0.00009803633,0.000007133477,0.0001465227,0.000001606089,0.0007312669,0.00007160207,0.9707351,0.001932746,0.0005676489,0.02506291],"study_design_scores_gemma":[0.0004076525,0.00007243318,0.00003737464,0.00001570579,0.00005334271,0.000005147529,0.0001478221,0.00007286782,0.9163974,0.08071475,0.001979501,0.00009598674],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967636,0.0009229048,0.0003655492,0.001223068,0.00004463861,0.00005360179,0.000006036141,0.000003542195,0.0006169975],"genre_scores_gemma":[0.9989958,0.00008899707,0.00007903553,0.00009277799,0.0006848869,0.000001274463,0.000002475373,0.0000115178,0.00004325209],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07878201,"threshold_uncertainty_score":0.2784501,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004922308097755193,"score_gpt":0.2338020273497498,"score_spread":0.2288797192519946,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}